N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C22H16F3N3O — CID 50997019

IUPACN-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O/c1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyXAWFLWLFMXUJMM-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.81
Rot. Bonds3

About N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 50997019) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID50997019
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O/c1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyXAWFLWLFMXUJMM-UHFFFAOYSA-N
XLogP5.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 50997019) is N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XAWFLWLFMXUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-13-5-8-18(11-19(13)14-6-7-16-12-26-28-20(16)10-14)27-21(29)15-3-2-4-17(9-15)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.38 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 50997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).